2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline

C17H9F3N2 — CID 118449756

IUPAC2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline
SMILESFc1cc2c(-c3ccc4ccccc4n3)c[nH]c2c(F)c1F
InChIInChI=1S/C17H9F3N2/c18-12-7-10-11(8-21-17(10)16(20)15(12)19)14-6-5-9-3-1-2-4-13(9)22-14/h1-8,21H
InChIKeyUFKOZNUPDJEQLC-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.80
Rot. Bonds1

About 2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline

2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline (PubChem CID 118449756) has the molecular formula C17H9F3N2 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline
PubChem CID118449756
Molecular FormulaC17H9F3N2
Molecular Weight298.27 g/mol
Exact Mass298.07
IUPAC Name2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline
SMILESFc1cc2c(-c3ccc4ccccc4n3)c[nH]c2c(F)c1F
InChIInChI=1S/C17H9F3N2/c18-12-7-10-11(8-21-17(10)16(20)15(12)19)14-6-5-9-3-1-2-4-13(9)22-14/h1-8,21H
InChIKeyUFKOZNUPDJEQLC-UHFFFAOYSA-N
XLogP4.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline?
The IUPAC name of 2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline (CID 118449756) is 2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline.
What is the SMILES notation for 2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline?
The canonical SMILES for 2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline is Fc1cc2c(-c3ccc4ccccc4n3)c[nH]c2c(F)c1F.
What is the InChIKey of 2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline?
The InChIKey is UFKOZNUPDJEQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N2/c18-12-7-10-11(8-21-17(10)16(20)15(12)19)14-6-5-9-3-1-2-4-13(9)22-14/h1-8,21H.
What are the key properties of 2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline?
2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline has a molecular weight of 298.27 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline is sourced from PubChem (CID 118449756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).